Home Aminos 2,5-Diamino-4(1H)-pyrimidinone

2,5-Diamino-4(1H)-pyrimidinone

CAS No.:
77994-12-8
Catalog Number:
AG003A5O
Molecular Formula:
C4H6N4O
Molecular Weight:
126.1166
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Product Description
Catalog Number:
AG003A5O
Chemical Name:
2,5-Diamino-4(1H)-pyrimidinone
CAS Number:
77994-12-8
Molecular Formula:
C4H6N4O
Molecular Weight:
126.1166
MDL Number:
MFCD18427067
IUPAC Name:
2,5-diamino-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H6N4O/c5-2-1-7-4(6)8-3(2)9/h1H,5H2,(H3,6,7,8,9)
InChI Key:
BUXQSBATTZNERM-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(=O)[nH]1)N
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.054g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
126.119g/mol
Monoisotopic Mass:
126.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  
Properties